#include "gromacs/fileio/readinp.h"
#include "gromacs/math/vectypes.h"
+#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/real.h"
namespace gmx
struct t_grpopts;
struct t_inpfile;
struct t_inputrec;
+struct t_pull_group;
+struct t_pull_coord;
struct t_rot;
struct warninp;
typedef warninp* warninp_t;
std::vector<std::string> read_pullparams(std::vector<t_inpfile>* inp, pull_params_t* pull, warninp_t wi);
/* Reads the pull parameters, returns a list of the pull group names */
-
-void make_pull_groups(pull_params_t* pull,
- gmx::ArrayRef<const std::string> pullGroupNames,
- const t_blocka* grps,
- char** gnames);
+void process_pull_groups(gmx::ArrayRef<t_pull_group> pullGroups,
+ gmx::ArrayRef<const std::string> pullGroupNames,
+ const t_blocka* grps,
+ char** gnames);
/* Process the pull group parameters after reading the index groups */
-void make_pull_coords(pull_params_t* pull);
+void checkPullCoords(gmx::ArrayRef<const t_pull_group> pullGroups,
+ gmx::ArrayRef<const t_pull_coord> pullCoords);
/* Process the pull coordinates after reading the pull groups */
pull_t* set_pull_init(t_inputrec* ir, const gmx_mtop_t* mtop, rvec* x, matrix box, real lambda, warninp_t wi);